tert-butyl-dimethyl-[(4-pyridazin-4-ylphenyl)methoxy]silane

C17H24N2OSi — CID 18182550

IUPACtert-butyl-dimethyl-[(4-pyridazin-4-ylphenyl)methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(-c2ccnnc2)cc1
InChIInChI=1S/C17H24N2OSi/c1-17(2,3)21(4,5)20-13-14-6-8-15(9-7-14)16-10-11-18-19-12-16/h6-12H,13H2,1-5H3
InChIKeySETDZHPGUCTYKN-UHFFFAOYSA-N
MW300.48 g/mol
LogP4.67
Rot. Bonds4

About tert-butyl-dimethyl-[(4-pyridazin-4-ylphenyl)methoxy]silane

tert-butyl-dimethyl-[(4-pyridazin-4-ylphenyl)methoxy]silane (PubChem CID 18182550) has the molecular formula C17H24N2OSi and a molecular weight of 300.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(4-pyridazin-4-ylphenyl)methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(4-pyridazin-4-ylphenyl)methoxy]silane
PubChem CID18182550
Molecular FormulaC17H24N2OSi
Molecular Weight300.48 g/mol
Exact Mass300.17
IUPAC Nametert-butyl-dimethyl-[(4-pyridazin-4-ylphenyl)methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(-c2ccnnc2)cc1
InChIInChI=1S/C17H24N2OSi/c1-17(2,3)21(4,5)20-13-14-6-8-15(9-7-14)16-10-11-18-19-12-16/h6-12H,13H2,1-5H3
InChIKeySETDZHPGUCTYKN-UHFFFAOYSA-N
XLogP4.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(4-pyridazin-4-ylphenyl)methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(4-pyridazin-4-ylphenyl)methoxy]silane (CID 18182550) is tert-butyl-dimethyl-[(4-pyridazin-4-ylphenyl)methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(4-pyridazin-4-ylphenyl)methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(4-pyridazin-4-ylphenyl)methoxy]silane is CC(C)(C)[Si](C)(C)OCc1ccc(-c2ccnnc2)cc1.
What is the InChIKey of tert-butyl-dimethyl-[(4-pyridazin-4-ylphenyl)methoxy]silane?
The InChIKey is SETDZHPGUCTYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OSi/c1-17(2,3)21(4,5)20-13-14-6-8-15(9-7-14)16-10-11-18-19-12-16/h6-12H,13H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[(4-pyridazin-4-ylphenyl)methoxy]silane?
tert-butyl-dimethyl-[(4-pyridazin-4-ylphenyl)methoxy]silane has a molecular weight of 300.48 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(4-pyridazin-4-ylphenyl)methoxy]silane is sourced from PubChem (CID 18182550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).